The system Ta?V?Si: Thermodynamic modeling

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F13%3A00389296" target="_blank" >RIV/68081723:_____/13:00389296 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216224:14740/13:00065992

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

The system Ta?V?Si: Thermodynamic modeling

Popis výsledku v původním jazyce

Based on previously evaluated experimental data for two isothermal sections of the Ta?V?Si system at 1500 °C and 1200 °C, thermodynamic modeling of the ternary system has been performed. Ground state phase stabilities i.e., the energies of formation arereported for all nine binary compounds and for the ?1 ternary intermetallic using an ab initio density functional approach. The calculated energies of formation are in agreement with available experimental data and they were included in the thermodynamicmodeling, which was performed within the CALPHAD approach using the Thermo-Calc software package and taking into account data from existing thermodynamic assessments of the binary sub-systems. The comparison of experimental with calculated data demandeda thermodynamic remodeling of the sub-systems Ta?V and V?Si. The resulting thermodynamic optimization yielded good agreement with the experimental results in the investigated temperature region.

Název v anglickém jazyce

The system Ta?V?Si: Thermodynamic modeling

Popis výsledku anglicky

Based on previously evaluated experimental data for two isothermal sections of the Ta?V?Si system at 1500 °C and 1200 °C, thermodynamic modeling of the ternary system has been performed. Ground state phase stabilities i.e., the energies of formation arereported for all nine binary compounds and for the ?1 ternary intermetallic using an ab initio density functional approach. The calculated energies of formation are in agreement with available experimental data and they were included in the thermodynamicmodeling, which was performed within the CALPHAD approach using the Thermo-Calc software package and taking into account data from existing thermodynamic assessments of the binary sub-systems. The comparison of experimental with calculated data demandeda thermodynamic remodeling of the sub-systems Ta?V and V?Si. The resulting thermodynamic optimization yielded good agreement with the experimental results in the investigated temperature region.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BJ - Termodynamika

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2013

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Solid State Chemistry

ISSN

0022-4596

e-ISSN

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Svazek periodika

199

Číslo periodika v rámci svazku

MAR

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

171-180

Kód UT WoS článku

000315477500028

EID výsledku v databázi Scopus

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